1-(3-Chlorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone
[CAS# 898785-88-1]

Identification

• Name: 1-(3-Chlorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone
• Synonyms: 3'-chloro-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone
• Molecular Formula: C₁₆H₂₁ClO₃
• Molecular Weight: 296.79
• CAS Registry Number: 898785-88-1
• SMILES: Clc1cccc(c1)C(=O)CCCC2OCC(C)(C)CO2
• InChI: 1S/C16H21ClO3/c1-16(2)10-19-15(20-11-16)8-4-7-14(18)12-5-3-6-13(17)9-12/h3,5-6,9,15H,4,7-8,10-11H2,1-2H3
• InChIKey: UTIJNFOMFNJRMQ-UHFFFAOYSA-N

Properties

• Density: 1.104g/cm³ (Cal.)
• Boiling point: 401.395°C at 760 mmHg (Cal.)
• Flash point: 149.061°C (Cal.)
• Refractive index: 1.502 (Cal.)